DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:55 UTC
Update Date	2025-03-21 18:34:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102806
Frequency	33.8
Structure
Chemical Formula	C₇H₁₄N₂O₆
Molecular Mass	222.0852
SMILES	NCC(O)=NC(C(=O)O)C(O)C(O)CO
InChI Key	PQEAZYWBZXYODT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	beta hydroxy acids and derivatives carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary alcohols propargyl-type 1,3-dipolar organic compounds secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid fatty acid propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol alcohol organic 1,3-dipolar compound hydroxy acid monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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